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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
hose_lotusv7
22 Q 22.90 22.822.8
11 T 29.83 29.929.9
10 T 37.43 36.536.5
9 D 52.10 52.752.7
28 Q 56.20 56.256.23
30 Q 57.00 56.556.3
26 Q 61.12 61.461.3
23 Q 61.19 61.661.53
6 D 108.18 107.4107.4
13 D 115.10 112.9112.9
4 S 125.77 125.6125.6
16 D 130.68 130.5130.5
5 S 134.47 134.3134.3
7 S 136.62 137.0137.0
12 D 137.77 135.6135.6
2 S 141.16 141.7141.7
3 S 151.41 151.2151.2
8 S 151.47 152.6152.6
1 S 153.44 153.6153.6
14 S 164.30 164.1164.1
20 S 168.20 170.1170.1
15 S 178.77 179.5179.5





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
acd_lotusv7
22 Q 22.80 22.822.9
11 T 29.90 29.929.83
10 T 36.50 36.537.43
9 D 52.70 52.752.1
28 Q 56.23 56.256.2
30 Q 56.30 56.557.0
26 Q 61.30 61.461.12
23 Q 61.53 61.661.19
6 D 107.40 107.4108.18
13 D 112.90 112.9115.1
4 S 125.60 125.6125.77
16 D 130.50 130.5130.68
5 S 134.30 134.3134.47
12 D 135.60 135.6137.77
7 S 137.00 137.0136.62
2 S 141.70 141.7141.16
3 S 151.20 151.2151.41
8 S 152.60 152.6151.47
1 S 153.60 153.6153.44
14 S 164.10 164.1164.3
20 S 170.10 170.1168.2
15 S 179.50 179.5178.77






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